(2S)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2,2-dimethylcoumaran-7-yl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H31N3O3+2 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC[C@H](C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O)C

InChI

InChI=1S/C22H29N3O3/c1-22(2)14-17-6-5-7-19(21(17)28-22)27-16-18(26)15-24-10-12-25(13-11-24)20-8-3-4-9-23-20/h3-9,18,26H,10-16H2,1-2H3/p+2/t18-/m0/s1